Unnamed: 0
int64 2
10.1k
| material_id
stringlengths 12
16
| cif
stringlengths 939
1.86k
| energy_per_atom
float64 -154.56
-154.07
|
|---|---|---|---|
2,390 | C-177242-5746-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25233000
_cell_length_b 3.75945000
_cell_length_c 4.58081000
_cell_angle_alpha 71.76801000
_cell_angle_beta 79.09733000
_cell_angle_gamma 56.93198000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.27258164
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.24566673 0.86092888 0.14710611 1
C C1 1 0.60884389 0.32153107 -0.00376676 1
C C2 1 0.99040185 0.12464372 0.37470381 1
C C3 1 0.36725279 0.56614232 0.75710493 1
C C4 1 0.21531678 0.40288868 0.60821872 1
C C5 1 0.98562646 0.76277420 0.37881332 1
C C6 1 0.22168442 1.02665514 0.60606851 1
C C7 1 0.76108103 0.48450699 0.14491305 1
| -154.074608 |
9,247 | C-177268-8621-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50276000
_cell_length_b 6.67395000
_cell_length_c 4.28716000
_cell_angle_alpha 103.53191000
_cell_angle_beta 91.64897000
_cell_angle_gamma 96.11421000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.11887581
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.71270568 0.11691501 0.08084176 1
C C1 1 0.14374955 0.68142898 0.86100416 1
C C2 1 1.15821146 0.45590838 0.13954909 1
C C3 1 0.81270335 0.80467933 0.37780664 1
C C4 1 0.26823411 0.69885078 0.21186378 1
C C5 1 0.07335738 0.45227948 0.77415751 1
C C6 1 0.33913690 0.12642336 0.57130654 1
C C7 1 0.80145084 0.03580434 0.38020654 1
C C8 1 0.53616341 0.35533684 0.59876394 1
C C9 1 0.63830405 0.35663112 0.23952988 1
C C10 1 0.19952058 0.05099096 -0.12477746 1
C C11 1 0.00922869 0.82654841 0.72298651 1
| -154.082492 |
2,232 | C-170364-9439-32 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47967000
_cell_length_b 3.68884000
_cell_length_c 4.89418000
_cell_angle_alpha 92.84451000
_cell_angle_beta 59.53660000
_cell_angle_gamma 70.38493000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.99079698
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.37071642 1.02178684 0.70484395 1
C C1 1 0.19977258 0.50589669 1.13360399 1
C C2 1 0.62820002 1.06045914 0.92736107 1
C C3 1 0.75339586 0.66188837 0.00241713 1
C C4 1 0.79916804 0.57685160 0.49851679 1
C C5 1 0.24702948 0.41944925 0.62948738 1
| -154.314737 |
6,883 | C-34617-8887-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52779000
_cell_length_b 4.29750000
_cell_length_c 5.07734000
_cell_angle_alpha 59.62288000
_cell_angle_beta 83.32621000
_cell_angle_gamma 94.92879000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.58291725
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.28651249 0.65506942 0.43073454 1
C C1 1 0.09147306 0.32843302 0.40452539 1
C C2 1 0.00023660 0.86070613 0.95268495 1
C C3 1 0.46685174 0.95686529 0.07200700 1
C C4 1 0.56736011 0.36122957 0.96320726 1
C C5 1 0.94393544 0.99000662 0.63079811 1
C C6 1 0.03381746 0.45746845 0.08275159 1
C C7 1 0.74922730 0.66360002 0.60429135 1
| -154.071138 |
3,200 | C-176683-1873-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43185000
_cell_length_b 4.53475000
_cell_length_c 6.82087000
_cell_angle_alpha 82.04574000
_cell_angle_beta 84.37771000
_cell_angle_gamma 78.03442000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.69053487
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.98664132 0.04201037 0.45805191 1
C C1 1 0.31551104 0.71113162 0.12790874 1
C C2 1 0.12142482 0.50965912 0.72661738 1
C C3 1 0.91727452 0.30920427 0.32579431 1
C C4 1 0.18772394 0.24269858 0.85933902 1
C C5 1 0.71878239 0.11008303 -0.07244487 1
C C6 1 0.58939415 0.64220989 0.65816099 1
C C7 1 0.52099959 0.90793099 0.52489267 1
C C8 1 0.38347064 0.44337808 0.25971068 1
C C9 1 0.78345549 0.84492374 1.06122156 1
| -154.456121 |
3,476 | C-56487-1364-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43821000
_cell_length_b 6.09340000
_cell_length_c 5.71238000
_cell_angle_alpha 60.82850000
_cell_angle_beta 90.02730000
_cell_angle_gamma 78.45712000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 72.12760710
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.62879961 0.84616458 0.07619690 1
C C1 1 0.33235289 0.43805132 0.27211742 1
C C2 1 1.00026958 0.10402612 0.64789210 1
C C3 1 0.91005859 0.28262754 0.34909809 1
C C4 1 -0.00119631 0.10677780 0.23311140 1
C C5 1 0.54033129 0.02394813 0.18979877 1
C C6 1 0.20669766 0.69073930 1.15391704 1
C C7 1 0.54098489 1.02291890 0.77737929 1
| -154.136536 |
2,868 | C-184062-776-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42317000
_cell_length_b 4.16194000
_cell_length_c 5.70328000
_cell_angle_alpha 132.80433000
_cell_angle_beta 90.41035000
_cell_angle_gamma 89.60132000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.19852686
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.15129183 0.29366859 0.25452524 1
C C1 1 0.65306866 0.29557229 0.41113586 1
C C2 1 0.15205075 0.88967599 -0.09078923 1
C C3 1 0.65160064 0.88920328 0.35078705 1
C C4 1 0.65215625 0.70045258 0.75617447 1
C C5 1 0.15210957 0.70019697 0.31454261 1
| -154.244854 |
8,805 | C-145305-3527-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48490000
_cell_length_b 4.67969000
_cell_length_c 4.78051000
_cell_angle_alpha 87.74644000
_cell_angle_beta 58.65597000
_cell_angle_gamma 74.60266000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.44282787
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.59561515 0.21737213 0.24305199 1
C C1 1 0.04890007 1.07265824 0.36207639 1
C C2 1 0.53416561 0.52902151 0.64895332 1
C C3 1 0.11173658 0.76167501 0.95509317 1
C C4 1 0.25925835 0.53098791 0.42309631 1
C C5 1 0.63448109 0.18857134 0.71790533 1
C C6 1 0.00799781 0.10261948 0.88769866 1
C C7 1 1.38623404 0.75923288 0.18136023 1
| -154.365165 |
9,592 | C-57148-8436-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48775000
_cell_length_b 3.51748000
_cell_length_c 5.56009000
_cell_angle_alpha 90.00435000
_cell_angle_beta 63.42767000
_cell_angle_gamma 90.00302000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.51486041
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.34858841 0.47980839 0.82416874 1
C C1 1 0.09938577 0.23028286 0.07375947 1
C C2 1 0.84857872 0.47996911 0.32316752 1
C C3 1 0.59938352 0.98008838 0.07375957 1
C C4 1 0.34858121 0.73038971 0.32317709 1
C C5 1 0.09794244 -0.02030820 0.57356679 1
C C6 1 0.84859202 0.73037573 0.82412467 1
C C7 1 0.59796350 0.23051420 0.57357996 1
| -154.547084 |
5,327 | C-72752-8394-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43252000
_cell_length_b 4.18208000
_cell_length_c 7.43975000
_cell_angle_alpha 83.73429000
_cell_angle_beta 104.20199000
_cell_angle_gamma 94.07844000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.85581301
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.07587636 0.42235849 0.52597674 1
C C1 1 1.47691100 0.82189942 0.32575966 1
C C2 1 0.68091892 1.02456669 0.72837121 1
C C3 1 0.75068739 0.76084495 0.86302461 1
C C4 1 0.94601138 0.95761917 0.26049802 1
C C5 1 0.35064489 0.36012024 1.06280582 1
C C6 1 0.88187822 0.22458377 0.12810024 1
C C7 1 0.54283910 0.55679204 0.45933441 1
C C8 1 0.14486379 0.15723736 0.66002486 1
C C9 1 0.28445883 0.62649346 0.92979103 1
| -154.462544 |
767 | C-172957-5425-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44281000
_cell_length_b 3.38537000
_cell_length_c 9.59728000
_cell_angle_alpha 107.92482000
_cell_angle_beta 89.94805000
_cell_angle_gamma 68.94661000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 69.91686307
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33171204 0.18001063 0.61860642 1
C C1 1 0.12643290 0.58977015 0.58367616 1
C C2 1 0.87654525 0.09054275 0.69512174 1
C C3 1 0.58323797 0.67762635 0.50677932 1
C C4 1 0.28109543 0.28891133 0.27818700 1
C C5 1 -0.23315334 0.31952635 0.85368116 1
C C6 1 0.19187700 0.46936594 -0.07563606 1
C C7 1 0.44534899 -0.03778188 0.13572730 1
C C8 1 0.70385347 0.44129550 0.34839917 1
C C9 1 1.02985879 0.79397279 1.06752859 1
| -154.200921 |
5,056 | C-142746-5299-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48691000
_cell_length_b 4.06033000
_cell_length_c 5.31302000
_cell_angle_alpha 104.11867000
_cell_angle_beta 117.91879000
_cell_angle_gamma 89.98465000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.56481356
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.42577918 0.97754673 0.10684495 1
C C1 1 0.73126402 0.21162109 0.41507301 1
C C2 1 0.69470386 0.40420311 0.87705996 1
C C3 1 0.27685036 0.74482427 0.45956815 1
C C4 1 0.34664978 0.41284123 0.53013742 1
C C5 1 0.89042876 -0.05401250 0.57357152 1
C C6 1 0.93141410 0.75267408 0.11223102 1
C C7 1 0.19923303 0.17846569 0.88159937 1
| -154.361583 |
3,716 | C-172951-5413-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44848000
_cell_length_b 2.54326000
_cell_length_c 6.49881000
_cell_angle_alpha 101.59501000
_cell_angle_beta 89.04201000
_cell_angle_gamma 94.14956000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.53900005
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63980438 0.99877186 0.28610279 1
C C1 1 0.64105852 0.89111288 0.06432602 1
C C2 1 0.13989486 0.05012974 0.39334864 1
C C3 1 0.14055709 -0.16286883 0.95648734 1
C C4 1 0.13959493 0.71946462 0.72699602 1
C C5 1 0.13890323 0.16626174 0.62312650 1
| -154.072209 |
4,866 | C-92132-9617-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51119000
_cell_length_b 4.19620000
_cell_length_c 6.44775000
_cell_angle_alpha 114.67741000
_cell_angle_beta 103.21129000
_cell_angle_gamma 95.99217000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 58.55063286
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56357877 0.38200084 -0.01178574 1
C C1 1 0.43544578 0.86438835 0.61692778 1
C C2 1 0.34464819 1.02563466 0.97673047 1
C C3 1 -0.09304768 0.39251727 0.63506026 1
C C4 1 0.40233501 0.96971515 0.16656030 1
C C5 1 0.18937004 0.59252940 0.13449594 1
C C6 1 0.44595320 0.26669386 0.70972612 1
C C7 1 1.26192923 0.54446951 0.36410353 1
C C8 1 1.02105162 0.78948231 0.73104672 1
C C9 1 0.71258605 0.32324185 0.37496531 1
| -154.070551 |
2,895 | C-157705-2959-35 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.88804000
_cell_length_b 3.63634000
_cell_length_c 4.81845000
_cell_angle_alpha 112.11843000
_cell_angle_beta 92.37987000
_cell_angle_gamma 107.78893000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.92888254
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.73420174 0.62827123 0.81642150 1
C C1 1 0.73778815 0.84264495 0.62556355 1
C C2 1 0.74432912 0.90529662 0.12607781 1
C C3 1 -0.25720244 0.28502299 0.12513978 1
C C4 1 0.73564048 0.24826490 0.81695993 1
C C5 1 0.74094165 0.69074622 0.31677622 1
| -154.130179 |
4,826 | C-193918-9298-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.49368000
_cell_length_b 4.77747000
_cell_length_c 7.71322000
_cell_angle_alpha 71.81545000
_cell_angle_beta 89.99854000
_cell_angle_gamma 89.99821000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 87.30190561
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.94004002 1.02367372 0.33287217 1
C C1 1 0.44015028 0.65068070 0.57886379 1
C C2 1 0.44014890 0.39111742 0.09993899 1
C C3 1 -0.06016006 0.84103211 0.19950622 1
C C4 1 -0.05981985 0.59669129 0.69039358 1
C C5 1 0.44018765 0.69663027 -0.03732796 1
C C6 1 0.44001384 0.96420734 0.44476508 1
C C7 1 0.44002980 0.47122027 0.44517460 1
C C8 1 0.44010911 0.22343833 0.96259680 1
C C9 1 0.43991910 0.90264272 0.07597273 1
C C10 1 0.94011371 0.34260782 0.85906898 1
C C11 1 0.94019453 0.68297192 0.85869078 1
C C12 1 0.94016052 0.33372967 0.21362028 1
C C13 1 -0.05998504 0.52325503 0.33313786 1
| -154.136365 |
8,746 | C-157672-8945-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42857000
_cell_length_b 3.40027000
_cell_length_c 6.96294000
_cell_angle_alpha 55.53376000
_cell_angle_beta 78.85200000
_cell_angle_gamma 67.83808000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.88772441
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.44979231 0.78714218 1.01031196 1
C C1 1 0.22646871 0.67776517 0.56591635 1
C C2 1 -0.10601364 0.01008995 0.89863124 1
C C3 1 0.11575195 0.12145083 0.34386710 1
C C4 1 0.55958841 0.34448413 0.23257450 1
C C5 1 0.78380806 0.45330004 0.67656456 1
| -154.430525 |
8,667 | C-90831-4076-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48815000
_cell_length_b 4.30425000
_cell_length_c 4.30402000
_cell_angle_alpha 99.57995000
_cell_angle_beta 106.75342000
_cell_angle_gamma 90.03044000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.46490555
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.03291506 -0.05732610 0.65626077 1
C C1 1 0.53290311 0.44266589 0.65632188 1
C C2 1 0.21960304 0.00569482 1.03119600 1
C C3 1 0.46976688 0.75542255 0.53119680 1
C C4 1 0.28232880 0.69289201 0.15628709 1
C C5 1 0.96985953 0.25544960 0.53120693 1
C C6 1 0.78271262 0.19291671 0.15630079 1
C C7 1 0.71924037 0.50567361 0.03121893 1
| -154.547404 |
8,319 | C-53834-8651-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48106000
_cell_length_b 3.68994000
_cell_length_c 6.27534000
_cell_angle_alpha 40.53337000
_cell_angle_beta 101.47085000
_cell_angle_gamma 109.64632000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.01203870
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.05954243 0.78422771 0.23632911 1
C C1 1 -0.05801410 0.16908685 0.60894550 1
C C2 1 0.74109357 0.84590231 0.53396103 1
C C3 1 0.52013949 0.19402470 0.74000340 1
C C4 1 0.26028621 0.10682072 0.31188975 1
C C5 1 0.48069050 0.75796579 0.10520391 1
| -154.311941 |
4,960 | C-172917-5417-49 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51679000
_cell_length_b 3.31839000
_cell_length_c 3.51456000
_cell_angle_alpha 90.00015000
_cell_angle_beta 119.94579000
_cell_angle_gamma 89.99977000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53959155
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.62375983 0.28781641 0.69494376 1
C C1 1 0.69577374 0.78781792 0.23079589 1
C C2 1 -0.07214481 0.62138699 0.69426465 1
C C3 1 0.92753284 -0.04422176 -0.00091354 1
C C4 1 0.39153149 0.12132066 0.23146712 1
C C5 1 0.39155281 0.45581058 -0.07380537 1
| -154.409731 |
2,859 | C-136217-3562-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52978000
_cell_length_b 4.73119000
_cell_length_c 5.51543000
_cell_angle_alpha 90.10172000
_cell_angle_beta 89.86961000
_cell_angle_gamma 105.98507000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 63.46074377
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.73633120 0.17809483 0.05603562 1
C C1 1 0.64479485 0.99886285 0.43442003 1
C C2 1 0.59156902 0.89084715 0.69155587 1
C C3 1 1.00294609 0.72037835 0.08587290 1
C C4 1 0.73676237 0.17737851 0.81420440 1
C C5 1 0.85535615 0.42491518 0.67336096 1
C C6 1 -0.14610281 0.42550062 0.19803476 1
C C7 1 0.80126999 0.31722949 0.43508949 1
C C8 1 0.00340042 0.71996118 0.78511252 1
C C9 1 0.59092042 0.89129164 0.17725356 1
| -154.073331 |
6,771 | C-76001-9027-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28674000
_cell_length_b 3.28964000
_cell_length_c 4.79957000
_cell_angle_alpha 106.89622000
_cell_angle_beta 72.72239000
_cell_angle_gamma 81.83879000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.90946917
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.82609117 0.96045022 0.56633884 1
C C1 1 0.14560774 0.59936428 -0.11384199 1
C C2 1 0.32605193 -0.03958764 0.06633562 1
C C3 1 0.18665276 0.59915860 0.56623847 1
C C4 1 0.64572012 0.59937189 0.38613410 1
C C5 1 0.68654492 0.59913463 0.06621850 1
C C6 1 0.50654340 0.23834233 0.88614086 1
C C7 1 1.00669555 0.23835289 0.38615179 1
| -154.338739 |
3,460 | C-113048-91-28 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43105000
_cell_length_b 3.93818000
_cell_length_c 6.78859000
_cell_angle_alpha 107.11685000
_cell_angle_beta 112.17532000
_cell_angle_gamma 89.10155000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.18494632
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.10704572 0.22447182 0.28810507 1
C C1 1 -0.14297973 0.72451896 0.53807147 1
C C2 1 0.60704644 0.22448417 0.78811933 1
C C3 1 0.77499762 0.55674156 0.95576663 1
C C4 1 0.52498808 1.05674127 0.20574552 1
C C5 1 0.35708634 0.72442845 0.03815216 1
C C6 1 0.27492006 0.55680650 0.45569001 1
C C7 1 1.02492527 0.05681278 0.70571692 1
| -154.459586 |
2,001 | C-126187-3348-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68823000
_cell_length_b 2.48122000
_cell_length_c 4.21775000
_cell_angle_alpha 90.02224000
_cell_angle_beta 75.09493000
_cell_angle_gamma 70.35763000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.96845168
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.71654475 0.29022488 0.67508284 1
C C1 1 0.27050954 0.51413831 0.88147113 1
C C2 1 0.20214107 0.54557620 0.24619403 1
C C3 1 0.35951114 0.96683192 0.37668556 1
C C4 1 0.11445662 0.09224688 0.75044532 1
C C5 1 0.75634268 -0.23023029 0.45275941 1
| -154.308931 |
2,176 | C-148262-6595-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75775000
_cell_length_b 4.50987000
_cell_length_c 8.25918000
_cell_angle_alpha 57.18328000
_cell_angle_beta 74.08687000
_cell_angle_gamma 89.53918000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 111.39885101
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.02302237 0.45020309 0.16786456 1
C C1 1 0.49803768 0.20433602 0.00549655 1
C C2 1 0.93121244 0.00623936 0.52508146 1
C C3 1 0.57380360 0.62916970 0.87456437 1
C C4 1 0.64700827 0.71902183 0.66523006 1
C C5 1 0.06738673 0.12256728 0.62580544 1
C C6 1 0.75731471 0.68282039 0.18595778 1
C C7 1 1.07918637 0.15125223 0.31135194 1
C C8 1 0.89732218 0.86362805 0.85045733 1
C C9 1 0.82324138 0.01685011 0.97901942 1
C C10 1 0.17317669 0.27438217 0.90944168 1
C C11 1 0.38673278 0.47787246 0.68588768 1
C C12 1 0.34617376 0.01419119 0.23174525 1
C C13 1 0.48366986 0.69455383 0.33097784 1
C C14 1 0.32035859 0.42345347 0.54757708 1
C C15 1 0.14004242 0.58328983 0.94913775 1
| -154.1175 |
6,016 | C-72701-1899-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51298000
_cell_length_b 4.18548000
_cell_length_c 4.18842000
_cell_angle_alpha 109.79051000
_cell_angle_beta 107.47161000
_cell_angle_gamma 107.43840000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.36645600
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.65329660 0.69335317 0.86683996 1
C C1 1 0.02124987 0.45021408 0.84707864 1
C C2 1 0.17185781 0.40636154 0.19137470 1
C C3 1 0.65318358 0.08144152 0.47831298 1
C C4 1 0.02148495 0.06189777 0.23520907 1
C C5 1 0.50317819 0.73709513 0.52232914 1
| -154.231205 |
2,935 | C-136253-4158-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45123000
_cell_length_b 6.16062000
_cell_length_c 3.98835000
_cell_angle_alpha 47.39225000
_cell_angle_beta 89.94734000
_cell_angle_gamma 78.54321000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.69416265
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.65617492 0.44552455 0.40207553 1
C C1 1 0.34235511 0.07387742 0.45618555 1
C C2 1 0.59595417 0.56620700 0.57995926 1
C C3 1 0.18588326 0.38762455 0.27255491 1
C C4 1 -0.09063532 0.93781896 0.52617110 1
C C5 1 0.06617096 0.62422271 0.70932605 1
| -154.259022 |
9,228 | C-170329-7952-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51942000
_cell_length_b 3.31772000
_cell_length_c 3.51884000
_cell_angle_alpha 90.01024000
_cell_angle_beta 120.09242000
_cell_angle_gamma 90.00029000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.54968566
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.23173624 0.56160329 0.50017739 1
C C1 1 0.69542659 0.72776750 0.73174511 1
C C2 1 0.92640576 0.89584516 0.19518185 1
C C3 1 0.99976625 0.39571795 0.73235505 1
C C4 1 0.69474178 0.06158364 0.42727059 1
C C5 1 0.23108268 0.22777335 0.19596041 1
| -154.410952 |
6,132 | C-113052-6214-18 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43006000
_cell_length_b 6.17080000
_cell_length_c 4.20448000
_cell_angle_alpha 76.43760000
_cell_angle_beta 90.09636000
_cell_angle_gamma 67.90510000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.50534497
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.21258382 0.43435541 0.60166959 1
C C1 1 1.13625231 0.93551455 0.25376911 1
C C2 1 0.71250845 0.43443463 1.10159001 1
C C3 1 0.63625301 0.93544379 0.75370945 1
C C4 1 0.63865852 0.93346633 0.08767131 1
C C5 1 0.21008910 0.43643697 0.26774267 1
C C6 1 0.13880119 0.93339289 0.58770979 1
C C7 1 0.71013751 0.43637344 0.76774777 1
| -154.430035 |
9,687 | C-184046-597-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90625000
_cell_length_b 3.61604000
_cell_length_c 4.87805000
_cell_angle_alpha 104.36228000
_cell_angle_beta 108.51144000
_cell_angle_gamma 101.63831000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.84344286
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.02358784 0.57342351 0.34397429 1
C C1 1 0.32559569 0.22667609 0.65303934 1
C C2 1 0.51542462 0.63049019 0.84472116 1
C C3 1 0.83223778 0.78830597 0.15224868 1
C C4 1 0.02382330 0.19229018 0.34352310 1
C C5 1 0.32620728 0.84586707 0.65287472 1
| -154.117028 |
601 | C-148223-6845-7 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48405000
_cell_length_b 3.82463000
_cell_length_c 5.97846000
_cell_angle_alpha 111.69241000
_cell_angle_beta 78.01075000
_cell_angle_gamma 71.01813000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.29984172
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.01714368 0.22187486 0.41630909 1
C C1 1 0.41198208 0.91420069 0.86577206 1
C C2 1 0.13884327 0.85043515 0.47306754 1
C C3 1 0.64406239 0.73430204 0.57924560 1
C C4 1 0.91759061 -0.20230922 -0.02793805 1
C C5 1 1.07451158 0.42617030 0.02833350 1
C C6 1 0.60174949 0.15086135 0.25107026 1
C C7 1 0.45685774 0.49691413 0.19333499 1
| -154.220751 |
5,673 | C-152605-7685-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.40402000
_cell_length_b 3.31634000
_cell_length_c 10.01147000
_cell_angle_alpha 91.81883000
_cell_angle_beta 76.33466000
_cell_angle_gamma 68.04562000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.29193180
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06435522 0.79050949 0.65652336 1
C C1 1 0.90391156 0.60071323 0.91096934 1
C C2 1 0.38897243 0.12709726 0.16472530 1
C C3 1 0.55195675 0.30705636 0.90900655 1
C C4 1 0.59953427 0.00340767 0.01652544 1
C C5 1 0.53613994 0.41096377 0.37649957 1
C C6 1 0.77276183 0.21802679 0.23547681 1
C C7 1 0.85808854 -0.09406027 0.80413355 1
C C8 1 0.67839961 0.70513951 0.58613040 1
C C9 1 -0.08657655 0.51811379 0.44489228 1
| -154.085668 |
3,846 | C-57157-9757-61 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47310000
_cell_length_b 7.52823000
_cell_length_c 7.96238000
_cell_angle_alpha 117.89006000
_cell_angle_beta 87.55622000
_cell_angle_gamma 102.85313000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C22
_cell_volume 127.41715376
_cell_formula_units_Z 22
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33922376 0.10392536 0.40487670 1
C C1 1 0.87130344 0.55808387 0.31176509 1
C C2 1 1.03865307 0.78392266 0.38184858 1
C C3 1 0.22944211 0.23559002 0.85323673 1
C C4 1 0.52770747 0.78724562 0.94205751 1
C C5 1 0.75585737 0.24220868 0.73844161 1
C C6 1 0.37765357 0.58925843 0.58464744 1
C C7 1 0.30385615 0.45373962 0.20274636 1
C C8 1 0.85038225 0.46679839 0.78470381 1
C C9 1 0.80895115 0.49223679 0.46160932 1
C C10 1 0.59835791 0.24838314 0.31292001 1
C C11 1 0.88154382 0.55141893 0.99222870 1
C C12 1 0.13958005 0.23575564 0.18541330 1
C C13 1 0.02303105 0.77779800 0.05244644 1
C C14 1 0.12971351 0.88568817 0.25916019 1
C C15 1 0.13653583 0.09064172 0.94976368 1
C C16 1 0.59449728 0.88001656 0.50733272 1
C C17 1 0.32234930 0.45622982 1.02161452 1
C C18 1 0.76342217 0.10126900 0.53036575 1
C C19 1 0.52263291 0.82315745 0.66133180 1
C C20 1 0.40569255 0.56618494 0.75835985 1
C C21 1 0.57392118 0.95024287 0.87667139 1
| -154.14461 |
6,225 | C-172933-8739-5 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31679000
_cell_length_b 3.51740000
_cell_length_c 3.51715000
_cell_angle_alpha 59.99325000
_cell_angle_beta 89.99691000
_cell_angle_gamma 89.99717000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.53298663
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.63291475 0.75836651 0.10502011 1
C C1 1 0.79832042 0.29483496 0.33695510 1
C C2 1 0.46592650 0.98987991 0.64153949 1
C C3 1 0.13290955 0.29473355 0.64109367 1
C C4 1 0.96587134 0.06332215 1.10467947 1
C C5 1 0.29831464 0.75823082 0.40958725 1
| -154.408817 |
3,746 | C-102922-4323-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47338000
_cell_length_b 5.34189000
_cell_length_c 6.56027000
_cell_angle_alpha 65.26135000
_cell_angle_beta 77.27900000
_cell_angle_gamma 59.71694000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.97614961
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.03465681 0.66634394 0.78981533 1
C C1 1 0.87256477 0.93283924 0.90636437 1
C C2 1 0.37398225 0.21991290 0.57252156 1
C C3 1 0.71100380 0.45352897 0.87450687 1
C C4 1 0.56056447 0.69449699 0.28776036 1
C C5 1 0.79773695 0.88950450 0.55163081 1
C C6 1 0.34547334 -0.09519190 0.40849442 1
C C7 1 0.09762861 0.23464347 0.25471277 1
C C8 1 0.19626534 0.14553710 0.82198539 1
C C9 1 1.10866838 0.70994209 0.14410665 1
C C10 1 0.80795714 0.36471916 0.44217729 1
C C11 1 0.53222674 0.37934103 0.12406697 1
| -154.159742 |
3,145 | C-136253-4158-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43018000
_cell_length_b 4.85015000
_cell_length_c 4.85398000
_cell_angle_alpha 76.17826000
_cell_angle_beta 120.04382000
_cell_angle_gamma 120.02989000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.87237187
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.03281450 1.01205237 1.03653466 1
C C1 1 0.74331817 0.07044352 0.68915191 1
C C2 1 0.74652460 0.66479871 0.09783479 1
C C3 1 0.11805821 0.10111217 0.53335825 1
C C4 1 0.12158154 0.50921470 0.12818091 1
C C5 1 0.83179699 0.16144913 0.18652399 1
| -154.298048 |
3,785 | C-157693-2980-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48747000
_cell_length_b 2.48802000
_cell_length_c 6.57654000
_cell_angle_alpha 67.77230000
_cell_angle_beta 79.07486000
_cell_angle_gamma 59.97807000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.62183030
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.14861386 0.61447977 0.69530557 1
C C1 1 -0.18567373 0.94892967 0.02826827 1
C C2 1 0.14774525 0.36501144 0.94541717 1
C C3 1 0.81458953 0.69871623 0.27821469 1
C C4 1 0.48127922 0.28212245 0.36144591 1
C C5 1 0.48195187 0.03129795 0.61173230 1
| -154.543166 |
4,324 | C-40112-2876-44 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48095000
_cell_length_b 3.68845000
_cell_length_c 4.83734000
_cell_angle_alpha 122.53676000
_cell_angle_beta 75.27928000
_cell_angle_gamma 109.60707000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.00289498
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.17382339 0.00777967 0.64109675 1
C C1 1 0.56616052 1.06461893 0.21262634 1
C C2 1 0.60483027 0.76876409 0.84755050 1
C C3 1 1.14450533 0.35226596 0.34359545 1
C C4 1 0.02638576 0.48101653 0.71658799 1
C C5 1 0.34551520 -0.17476097 0.41910577 1
| -154.310304 |
2,314 | C-41270-7708-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55276000
_cell_length_b 3.25727000
_cell_length_c 5.72234000
_cell_angle_alpha 88.54791000
_cell_angle_beta 113.54546000
_cell_angle_gamma 107.97389000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.52996439
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.41638267 0.59403111 0.04440556 1
C C1 1 0.44932366 0.39529302 0.84512167 1
C C2 1 0.75979622 0.38773639 0.83372844 1
C C3 1 0.73993160 0.78966510 0.24413549 1
C C4 1 1.05044367 0.78285457 0.23265768 1
C C5 1 0.08341923 0.58393553 1.03360770 1
C C6 1 0.18886403 0.16448289 0.61427972 1
C C7 1 0.84380123 0.03604420 0.48582267 1
C C8 1 0.65618820 0.14062649 0.59259084 1
C C9 1 0.31105149 1.01367679 0.46321753 1
| -154.216501 |
5,718 | C-177250-68-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39821000
_cell_length_b 3.39900000
_cell_length_c 4.11391000
_cell_angle_alpha 78.53798000
_cell_angle_beta 78.54705000
_cell_angle_gamma 93.88118000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.35796807
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 1.00331607 0.24660765 0.92351293 1
C C1 1 0.19443824 0.91878628 0.47836413 1
C C2 1 0.52254315 0.72778855 0.92334241 1
C C3 1 0.81170213 0.05551982 0.68807842 1
C C4 1 0.33091358 0.53607392 0.68818070 1
C C5 1 0.78305254 0.50733301 0.13634840 1
C C6 1 0.55122901 0.27588988 0.47497076 1
C C7 1 0.13973647 0.86381478 0.13319586 1
| -154.330118 |
8,932 | C-148244-5888-60 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42980000
_cell_length_b 6.16493000
_cell_length_c 4.29474000
_cell_angle_alpha 70.42875000
_cell_angle_beta 95.73521000
_cell_angle_gamma 75.33992000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 57.42649078
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.86482911 0.66676871 0.73648790 1
C C1 1 0.78199913 0.25000136 0.56888224 1
C C2 1 0.28203059 0.75000215 0.56895866 1
C C3 1 0.03207548 0.49999055 1.06893728 1
C C4 1 0.53204804 0.99985313 0.06876593 1
C C5 1 0.36487209 0.16660387 0.73628407 1
C C6 1 0.61482505 0.41659629 0.23637798 1
C C7 1 0.11474761 0.91659583 0.23635863 1
| -154.430979 |
4,082 | C-148234-7928-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42609000
_cell_length_b 4.47632000
_cell_length_c 6.28285000
_cell_angle_alpha 104.92733000
_cell_angle_beta 97.93594000
_cell_angle_gamma 98.89500000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 116.75070136
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.43100840 0.82098926 0.15753536 1
C C1 1 0.75983773 0.49891710 -0.04117409 1
C C2 1 0.26969450 0.97955252 0.48902348 1
C C3 1 0.46626851 0.78578812 0.76145772 1
C C4 1 0.46495203 0.79114022 0.38531364 1
C C5 1 0.22040759 0.02894043 0.15567370 1
C C6 1 0.79532516 0.45832028 0.55342476 1
C C7 1 0.58656408 0.66599079 0.55757521 1
C C8 1 0.07802897 0.17462518 0.80835130 1
C C9 1 0.07153337 0.18039370 0.02543781 1
C C10 1 -0.12148177 0.37058048 0.13062971 1
C C11 1 0.11735835 0.12735524 0.35820073 1
C C12 1 0.91055469 0.33924792 0.35779229 1
C C13 1 0.26696435 0.98919081 0.70713655 1
C C14 1 0.88144775 0.38086371 0.75594337 1
C C15 1 0.55002889 0.70571624 -0.03726973 1
| -154.103058 |
5,317 | C-184068-6075-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46044000
_cell_length_b 2.55102000
_cell_length_c 6.27915000
_cell_angle_alpha 102.23379000
_cell_angle_beta 78.80304000
_cell_angle_gamma 89.67016000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 37.73851016
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.19105089 0.52696047 0.41796158 1
C C1 1 0.07515530 0.63744236 0.64809395 1
C C2 1 0.51002728 0.70427968 0.77941989 1
C C3 1 0.74970782 0.47134718 0.30041808 1
C C4 1 0.86558076 0.35927825 0.07077502 1
C C5 1 0.43143575 0.29205966 0.93971918 1
| -154.18559 |
804 | C-136235-2385-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68572000
_cell_length_b 3.79610000
_cell_length_c 3.93356000
_cell_angle_alpha 102.87669000
_cell_angle_beta 56.86153000
_cell_angle_gamma 99.75860000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.84877231
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.31381134 0.13939629 0.99653107 1
C C1 1 0.25608933 0.63799982 0.55825909 1
C C2 1 0.87532005 0.63827198 0.93936000 1
C C3 1 -0.09048577 0.94595270 0.21102709 1
C C4 1 0.52873170 0.94631231 0.59223405 1
C C5 1 0.47095085 0.44483681 0.15389630 1
| -154.130881 |
1,855 | C-170335-8559-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63074000
_cell_length_b 3.26828000
_cell_length_c 3.27467000
_cell_angle_alpha 99.17547000
_cell_angle_beta 75.51037000
_cell_angle_gamma 104.45369000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 36.23587606
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.23103471 0.19067050 0.59460977 1
C C1 1 0.84966234 0.56203177 0.17852511 1
C C2 1 0.46769636 0.97735638 0.80728771 1
C C3 1 0.84943500 0.24522572 0.86088483 1
C C4 1 0.46774174 0.61624231 0.44696227 1
C C5 1 0.23132325 0.83008311 0.23309540 1
| -154.200646 |
3,450 | C-141033-8048-27 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42841000
_cell_length_b 4.56233000
_cell_length_c 4.77239000
_cell_angle_alpha 83.47524000
_cell_angle_beta 90.42995000
_cell_angle_gamma 101.97855000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 72.53919035
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.58076561 0.09891687 0.15129884 1
C C1 1 0.19922014 0.85642369 0.53517763 1
C C2 1 0.45425428 0.31617075 0.28114981 1
C C3 1 0.00255130 0.62261025 0.73584272 1
C C4 1 0.42985455 0.82537140 0.30632020 1
C C5 1 0.56205999 0.60875127 0.17843698 1
C C6 1 0.21173164 0.17929152 0.52355082 1
C C7 1 0.81171465 0.06861725 0.92247039 1
C C8 1 0.80175286 0.74643665 -0.06490211 1
C C9 1 0.01314317 0.30357635 0.72367862 1
| -154.177313 |
3,448 | C-80168-1847-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48782000
_cell_length_b 4.30530000
_cell_length_c 4.30492000
_cell_angle_alpha 70.55470000
_cell_angle_beta 89.97045000
_cell_angle_gamma 89.99725000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 43.47910051
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.64527242 1.01739143 0.82415229 1
C C1 1 0.64535903 0.89232342 0.19910851 1
C C2 1 1.14535903 0.39232342 0.19910851 1
C C3 1 0.64527242 0.51739143 0.32415229 1
C C4 1 0.14535903 0.89232342 0.69910851 1
C C5 1 1.14527242 0.01739143 0.32415229 1
C C6 1 0.14527242 0.51739143 0.82415229 1
C C7 1 0.64535903 0.39232342 0.69910851 1
| -154.546181 |
1,644 | C-193911-8410-46 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43015000
_cell_length_b 5.51645000
_cell_length_c 4.23364000
_cell_angle_alpha 49.36084000
_cell_angle_beta 89.89902000
_cell_angle_gamma 89.83872000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.06727275
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.57923259 0.52228045 0.46694018 1
C C1 1 0.57917173 0.93656256 0.46943623 1
C C2 1 0.07923528 0.94827523 0.61495916 1
C C3 1 0.57921522 0.87644524 0.17566370 1
C C4 1 1.07919631 0.36505373 0.61249619 1
C C5 1 0.07916815 0.01119519 -0.09377696 1
| -154.236152 |
2,453 | C-53818-5632-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.84752000
_cell_length_b 3.62679000
_cell_length_c 4.81855000
_cell_angle_alpha 112.11702000
_cell_angle_beta 96.54664000
_cell_angle_gamma 93.71210000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 45.48609572
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.13639999 0.14177136 0.20256320 1
C C1 1 0.13546986 0.54682512 0.39397102 1
C C2 1 0.13383311 0.48732219 0.89417872 1
C C3 1 1.13427855 0.70102853 0.70296375 1
C C4 1 0.13335750 0.10601939 0.89436377 1
C C5 1 1.13544789 0.76016352 0.20251444 1
| -154.148543 |
1,477 | C-76050-9799-34 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48511000
_cell_length_b 3.31856000
_cell_length_c 9.45852000
_cell_angle_alpha 112.41378000
_cell_angle_beta 77.73065000
_cell_angle_gamma 103.36033000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 69.48548288
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.47948410 0.22440510 0.80043084 1
C C1 1 0.71667298 0.25299172 0.32705579 1
C C2 1 0.63249956 0.70044235 0.91282374 1
C C3 1 1.03201743 0.12478056 0.69908947 1
C C4 1 0.21306473 0.97249724 0.91263772 1
C C5 1 0.62368975 0.63554055 0.07009348 1
C C6 1 0.06493113 0.35148509 0.06980718 1
C C7 1 0.79384110 0.09637969 0.17247391 1
C C8 1 0.29770550 0.37663782 0.58692758 1
C C9 1 0.87842004 0.64960466 0.58679507 1
C C10 1 0.44636636 -0.00271489 0.42960740 1
C C11 1 -0.11297677 0.71414391 0.42960953 1
| -154.110247 |
4,633 | C-13929-1342-8 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43039000
_cell_length_b 3.38691000
_cell_length_c 8.83210000
_cell_angle_alpha 95.78050000
_cell_angle_beta 97.33703000
_cell_angle_gamma 90.62188000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 71.71888748
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.61289654 0.20172632 0.97013914 1
C C1 1 0.07829813 1.07318170 0.90294357 1
C C2 1 0.67974608 0.46879344 0.10378350 1
C C3 1 0.80951293 0.00124109 0.37018698 1
C C4 1 0.87432176 0.27253718 0.50287021 1
C C5 1 0.40727552 0.40685964 0.56902679 1
C C6 1 0.27738484 0.86795125 0.30388845 1
C C7 1 0.47467539 0.67670225 0.70206355 1
C C8 1 0.21259452 0.59873735 0.17065915 1
C C9 1 0.00952359 -0.19328892 0.76906766 1
| -154.447438 |
7,932 | C-41302-4393-24 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48070000
_cell_length_b 3.68942000
_cell_length_c 4.21812000
_cell_angle_alpha 104.82416000
_cell_angle_beta 89.98698000
_cell_angle_gamma 109.68538000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.98252165
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.12901012 0.72485457 0.66229049 1
C C1 1 0.58582749 0.63787219 1.15816531 1
C C2 1 0.90465316 0.27912038 0.45589797 1
C C3 1 0.70717788 0.88103164 0.53101286 1
C C4 1 0.38574151 0.24031606 0.23396721 1
C C5 1 0.16425435 0.79509385 1.02737366 1
| -154.309073 |
5,691 | C-176646-2657-29 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43819000
_cell_length_b 5.25398000
_cell_length_c 6.45765000
_cell_angle_alpha 124.14940000
_cell_angle_beta 102.30023000
_cell_angle_gamma 95.73363000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 64.37720176
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.35148881 0.61878054 0.93301906 1
C C1 1 0.09407487 1.03888820 0.44991215 1
C C2 1 0.80999539 0.46604225 0.89754341 1
C C3 1 0.45168663 0.97330903 0.08030125 1
C C4 1 0.26189707 0.46658159 0.32072721 1
C C5 1 -0.12493924 0.61864333 0.43861761 1
C C6 1 0.97649971 0.13082553 0.06420241 1
C C7 1 0.54711608 0.04020672 0.34418110 1
C C8 1 0.75764878 0.12987770 0.81957852 1
C C9 1 1.12663172 0.97265110 0.64772268 1
| -154.135136 |
1,060 | C-136241-2721-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42805000
_cell_length_b 5.74015000
_cell_length_c 4.03284000
_cell_angle_alpha 85.04763000
_cell_angle_beta 90.08348000
_cell_angle_gamma 129.41896000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.15517863
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48826143 1.03775037 0.54224835 1
C C1 1 0.15293539 0.48103717 0.98793310 1
C C2 1 0.48637367 0.70321370 1.21084504 1
C C3 1 0.48859387 0.37146714 0.87532301 1
C C4 1 0.15055365 -0.18726513 0.32357791 1
C C5 1 1.15151679 1.14666835 0.65630589 1
| -154.470937 |
9,715 | C-193920-1389-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46274000
_cell_length_b 5.08150000
_cell_length_c 7.03998000
_cell_angle_alpha 106.10390000
_cell_angle_beta 79.91564000
_cell_angle_gamma 90.00398000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 83.22687451
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48110659 0.83015139 0.57980456 1
C C1 1 0.58086812 0.74624072 0.38000793 1
C C2 1 0.82554855 0.79930620 0.88917171 1
C C3 1 0.52566109 0.29356774 0.50251075 1
C C4 1 1.07362719 0.23268193 0.40374278 1
C C5 1 0.41044141 0.35374256 0.72536273 1
C C6 1 0.17039421 1.02981290 0.20547958 1
C C7 1 0.73017278 1.04779797 1.08380263 1
C C8 1 0.13963330 0.73613402 0.26214831 1
C C9 1 0.32757294 0.62767604 -0.11327146 1
C C10 1 0.87948246 0.22310540 0.78682053 1
C C11 1 0.76420019 0.31664312 0.01878816 1
C C12 1 0.23901512 0.50149539 0.06626680 1
C C13 1 0.92103615 -0.09244069 0.70145599 1
| -154.292083 |
2,075 | C-134197-4068-53 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48484000
_cell_length_b 4.15849000
_cell_length_c 8.10696000
_cell_angle_alpha 120.87404000
_cell_angle_beta 107.85236000
_cell_angle_gamma 90.00312000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.15647407
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.32362929 0.75738262 0.02477906 1
C C1 1 0.75888437 0.86916586 0.95921451 1
C C2 1 -0.06892271 0.38584350 0.62875222 1
C C3 1 0.70269941 0.28219697 0.40157002 1
C C4 1 0.54497619 0.85088060 0.24561473 1
C C5 1 0.41836249 0.85019988 0.61817000 1
C C6 1 1.04086596 0.62255404 0.24158685 1
C C7 1 0.81166955 0.27210344 1.01447901 1
C C8 1 0.19815264 0.50232449 0.39727142 1
C C9 1 0.21888438 0.33093276 0.92168775 1
C C10 1 0.52364231 0.63050874 0.72141987 1
C C11 1 -0.01662837 1.09327581 0.68397557 1
| -154.428696 |
3,659 | C-145317-4010-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48427000
_cell_length_b 3.82192000
_cell_length_c 5.22519000
_cell_angle_alpha 98.85991000
_cell_angle_beta 89.99731000
_cell_angle_gamma 71.06105000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.29936930
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06360585 0.11041005 0.29957249 1
C C1 1 -0.05586291 0.35226521 0.84958157 1
C C2 1 0.51774450 0.20460852 0.46438959 1
C C3 1 0.55444096 0.13015556 0.74387092 1
C C4 1 0.76950903 0.70222128 0.68692915 1
C C5 1 0.31517760 0.60845298 0.52213323 1
C C6 1 0.27856500 0.68159573 0.24232943 1
C C7 1 -0.11154922 0.45965386 0.13622391 1
| -154.220004 |
552 | C-28248-2845-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48087000
_cell_length_b 3.68736000
_cell_length_c 4.89764000
_cell_angle_alpha 66.75705000
_cell_angle_beta 59.54177000
_cell_angle_gamma 70.33287000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.95460957
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.74124977 0.70536646 0.81866503 1
C C1 1 0.70078055 0.79597678 0.31378895 1
C C2 1 0.71698119 0.34964182 0.52084459 1
C C3 1 0.03272383 0.86229664 0.94910183 1
C C4 1 0.01660200 0.30857824 0.74223173 1
C C5 1 -0.00861984 -0.04738775 0.44454138 1
| -154.307725 |
9,990 | C-57156-2568-42 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.81104000
_cell_length_b 3.74615000
_cell_length_c 5.70365000
_cell_angle_alpha 89.86991000
_cell_angle_beta 102.02139000
_cell_angle_gamma 85.64498000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.56585607
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.78561716 0.85624709 -0.07009267 1
C C1 1 0.78978714 0.48216249 0.46835824 1
C C2 1 0.78722292 0.85692207 0.46829689 1
C C3 1 0.79039425 0.16950309 0.31972115 1
C C4 1 0.78933333 0.98707211 0.69948338 1
C C5 1 0.78813003 0.48143433 0.92989264 1
C C6 1 0.78463822 0.16946734 0.07864691 1
C C7 1 0.78739246 0.35128008 0.69886106 1
| -154.077468 |
5,764 | C-170358-474-4 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48848000
_cell_length_b 3.51760000
_cell_length_c 4.30673000
_cell_angle_alpha 65.90405000
_cell_angle_beta 73.20576000
_cell_angle_gamma 89.99205000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 32.64529750
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.67819385 0.28795667 0.34777287 1
C C1 1 1.01152718 0.62129001 0.68110620 1
C C2 1 0.34486051 0.95462334 0.01443953 1
C C3 1 0.17804085 0.53750706 0.34799343 1
C C4 1 0.51137419 -0.12915961 0.68132677 1
C C5 1 0.84470752 1.20417373 0.01466010 1
| -154.549256 |
5,265 | C-130536-5861-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48306000
_cell_length_b 3.47894000
_cell_length_c 5.27017000
_cell_angle_alpha 99.16222000
_cell_angle_beta 99.16795000
_cell_angle_gamma 87.59849000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 62.23143395
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33184091 0.32883120 0.99641742 1
C C1 1 -0.18987878 0.80841182 0.25055943 1
C C2 1 0.18707103 0.68826004 0.41329126 1
C C3 1 0.38451394 0.06233061 0.57039006 1
C C4 1 0.53185703 1.04633187 0.84922326 1
C C5 1 0.69024642 0.18541282 0.41375063 1
C C6 1 0.48902021 0.48702208 0.25999301 1
C C7 1 0.04970156 0.52996187 0.84960987 1
C C8 1 0.06459223 0.38251372 0.57056003 1
C C9 1 0.81719464 0.81487638 0.96880953 1
| -154.242024 |
7,142 | C-142744-7221-39 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51144000
_cell_length_b 3.94073000
_cell_length_c 4.77777000
_cell_angle_alpha 86.79925000
_cell_angle_beta 81.57005000
_cell_angle_gamma 80.07696000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.05184757
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.59612517 0.96785334 0.21694727 1
C C1 1 1.13848077 0.72636791 0.21241823 1
C C2 1 0.70585663 0.23774298 0.96987357 1
C C3 1 0.41230856 0.15425424 0.50039943 1
C C4 1 0.22210369 0.52344080 0.47189801 1
C C5 1 0.16067453 0.47878977 0.97466862 1
C C6 1 0.88611174 0.05333162 0.68571148 1
C C7 1 0.07372871 0.68304744 0.71558358 1
| -154.12847 |
7,160 | C-113062-5806-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35718000
_cell_length_b 4.39060000
_cell_length_c 5.94845000
_cell_angle_alpha 53.40515000
_cell_angle_beta 54.89830000
_cell_angle_gamma 76.13252000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.87901800
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.44112151 0.02413002 0.74542901 1
C C1 1 0.44108145 0.52411080 0.24545703 1
C C2 1 1.10847979 0.19157252 0.91175655 1
C C3 1 -0.05892324 0.52414101 0.74542641 1
C C4 1 0.60845524 0.69156423 0.91177466 1
C C5 1 -0.05891607 0.02412300 0.24544112 1
C C6 1 0.10844040 0.69157314 0.41178584 1
C C7 1 0.60846671 0.19156127 0.41178278 1
| -154.429303 |
2,866 | C-53836-3159-37 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.03934000
_cell_length_b 4.24156000
_cell_length_c 6.00731000
_cell_angle_alpha 105.76451000
_cell_angle_beta 93.72843000
_cell_angle_gamma 105.93727000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 70.84535853
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.17554593 0.31581382 0.98208406 1
C C1 1 0.05562789 0.37829372 0.77474309 1
C C2 1 0.18795633 0.58326725 0.19359271 1
C C3 1 0.92365923 0.51524248 0.35828883 1
C C4 1 0.05538390 0.72045693 0.77924727 1
C C5 1 0.39075404 0.93219979 0.18991334 1
C C6 1 0.72279397 0.16590043 0.36205527 1
C C7 1 0.20765113 0.99590103 0.98503294 1
C C8 1 0.93972118 0.78326803 0.57123235 1
C C9 1 0.90784290 1.10341322 0.56792884 1
| -154.154942 |
6,935 | C-130518-7047-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44669000
_cell_length_b 4.56907000
_cell_length_c 6.38154000
_cell_angle_alpha 87.41241000
_cell_angle_beta 101.02689000
_cell_angle_gamma 105.45532000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.48934715
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.09761927 0.15668051 0.86090708 1
C C1 1 0.46275351 0.60951894 0.14848907 1
C C2 1 -0.25347499 0.60388184 0.71277138 1
C C3 1 0.19469018 0.46239493 0.74825585 1
C C4 1 0.65614422 -0.05869906 0.20198588 1
C C5 1 0.35107370 0.98919687 0.53900570 1
C C6 1 0.24492562 -0.00784543 0.32848630 1
C C7 1 0.67000390 0.15865762 0.00582692 1
C C8 1 0.87599636 0.46745814 0.11446750 1
C C9 1 0.88714634 0.93631205 0.66450241 1
| -154.162967 |
2,750 | C-53838-1497-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47124000
_cell_length_b 3.76448000
_cell_length_c 8.72053000
_cell_angle_alpha 112.16853000
_cell_angle_beta 115.17681000
_cell_angle_gamma 89.99571000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 66.73454183
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.60781313 0.14008231 0.10219727 1
C C1 1 0.47628836 0.69393468 0.34956991 1
C C2 1 0.33760123 0.90794609 0.92192084 1
C C3 1 0.48081462 0.06925528 0.35267732 1
C C4 1 0.77744650 0.36224713 0.54851504 1
C C5 1 0.77436805 0.74757523 0.54639133 1
C C6 1 0.44807675 0.35656599 0.66213515 1
C C7 1 0.44309488 0.95333852 0.65881324 1
C C8 1 0.67276889 0.79055374 0.81220291 1
C C9 1 0.27887938 0.26108192 0.21670559 1
| -154.073719 |
3,581 | C-141053-1510-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39839000
_cell_length_b 2.45875000
_cell_length_c 5.32298000
_cell_angle_alpha 90.00204000
_cell_angle_beta 83.49875000
_cell_angle_gamma 111.19182000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 41.16308094
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.43224401 0.88088415 0.90040883 1
C C1 1 0.08842760 0.70868245 0.70603067 1
C C2 1 0.62924917 0.47883591 0.77252177 1
C C3 1 0.37178296 0.85436280 0.17576797 1
C C4 1 0.35159469 0.34403924 0.30314860 1
C C5 1 0.28621037 0.30745155 0.57860637 1
| -154.152124 |
8,344 | C-141059-7490-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52123000
_cell_length_b 4.69578000
_cell_length_c 5.15679000
_cell_angle_alpha 86.90181000
_cell_angle_beta 81.97851000
_cell_angle_gamma 106.69237000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 57.62124607
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.72176277 0.82210412 0.72274607 1
C C1 1 0.82329854 0.16285068 0.77207651 1
C C2 1 0.72048193 0.69999053 -0.00263120 1
C C3 1 0.51572998 0.30466014 0.37302725 1
C C4 1 -0.03484303 -0.06233744 0.15338220 1
C C5 1 0.01710918 0.38853104 0.52374916 1
C C6 1 0.22083124 0.73810118 0.57227778 1
C C7 1 0.41528820 0.96397789 0.32340985 1
C C8 1 0.27441413 0.18919656 -0.05912440 1
C C9 1 0.51721885 0.42675819 0.09761648 1
| -154.131537 |
4,573 | C-170900-9651-40 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44273000
_cell_length_b 6.24248000
_cell_length_c 4.20250000
_cell_angle_alpha 105.92996000
_cell_angle_beta 89.99778000
_cell_angle_gamma 101.26932000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 60.33594623
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.07483363 0.01197031 0.72977760 1
C C1 1 0.21369669 0.30107924 0.55932965 1
C C2 1 0.19751697 0.26106363 0.88794130 1
C C3 1 0.52346267 0.90755460 0.61322652 1
C C4 1 0.87112372 0.60227474 0.23504268 1
C C5 1 0.42419510 0.70768564 0.35107928 1
C C6 1 0.71909147 0.31215482 0.40657785 1
C C7 1 0.74235574 0.35185882 0.07814332 1
| -154.191746 |
3,147 | C-189703-1540-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02453000
_cell_length_b 5.98962000
_cell_length_c 4.72130000
_cell_angle_alpha 73.93467000
_cell_angle_beta 79.49955000
_cell_angle_gamma 69.87836000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 102.21019647
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.40473485 0.71994749 0.19464982 1
C C1 1 0.26712358 0.58495676 0.44967479 1
C C2 1 -0.33604526 0.98429569 0.41428607 1
C C3 1 0.83738302 0.15989627 0.93911958 1
C C4 1 0.56891131 0.88828661 0.20783838 1
C C5 1 0.67310229 0.99912811 0.92224056 1
C C6 1 0.83862220 0.15934200 0.24259949 1
C C7 1 0.11572281 0.42659939 -0.06104927 1
C C8 1 1.09079701 0.41120064 0.46463092 1
C C9 1 0.41130106 0.73381428 0.87587641 1
C C10 1 0.58180136 0.91119196 0.71467723 1
C C11 1 1.00522298 0.31912087 0.76003295 1
C C12 1 0.27955274 0.59555474 0.75886395 1
C C13 1 1.01586446 0.33391848 0.23785911 1
| -154.162729 |
6,544 | C-193940-9208-13 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42633000
_cell_length_b 4.22685000
_cell_length_c 4.22617000
_cell_angle_alpha 88.27001000
_cell_angle_beta 89.96451000
_cell_angle_gamma 90.00790000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.32270642
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.45527814 0.63134331 0.78307960 1
C C1 1 0.95531676 0.78783315 0.75962627 1
C C2 1 0.45528699 0.28208991 0.84373110 1
C C3 1 0.95534358 0.13681557 0.69776438 1
C C4 1 0.95536369 0.19601034 0.34908597 1
C C5 1 0.45543534 0.22138152 0.19223438 1
| -154.318588 |
2,774 | C-184042-1275-9 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48105000
_cell_length_b 4.89236000
_cell_length_c 4.83366000
_cell_angle_alpha 44.57247000
_cell_angle_beta 75.20682000
_cell_angle_gamma 59.58906000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 34.97016037
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.33764925 -0.00560063 0.39775807 1
C C1 1 0.31281207 0.33922972 0.75533260 1
C C2 1 0.29651481 0.57851759 0.30948017 1
C C3 1 0.62848914 0.28194079 0.24090047 1
C C4 1 0.61228441 0.52106933 0.79508699 1
C C5 1 0.58785601 0.86590371 0.15271681 1
| -154.30837 |
2,957 | C-41278-5784-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.64368000
_cell_length_b 2.44669000
_cell_length_c 8.30837000
_cell_angle_alpha 98.53592000
_cell_angle_beta 93.80577000
_cell_angle_gamma 109.58023000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 68.47454913
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.43600064 1.06651079 0.92369321 1
C C1 1 0.65604256 0.71018422 0.98947885 1
C C2 1 0.95150011 0.56940780 0.41945963 1
C C3 1 0.21445181 0.32450525 0.66698060 1
C C4 1 0.81095299 0.41575350 0.24305105 1
C C5 1 0.15795774 0.53793789 0.13869161 1
C C6 1 0.29901562 0.90677889 0.74644085 1
C C7 1 0.08957690 -0.05128833 0.02905703 1
C C8 1 0.59113246 0.77402389 0.17814740 1
C C9 1 1.03377077 0.15004740 0.49894437 1
| -154.288096 |
477 | C-130544-211-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48087000
_cell_length_b 4.57975000
_cell_length_c 4.48410000
_cell_angle_alpha 72.52647000
_cell_angle_beta 56.41433000
_cell_angle_gamma 57.17616000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.66586002
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.14716969 0.12390016 0.11068071 1
C C1 1 1.41031753 0.12353106 0.34798008 1
C C2 1 0.55672876 0.71470975 0.11025052 1
C C3 1 0.11881508 0.41931169 0.84383791 1
C C4 1 0.81986790 0.71436178 0.34753530 1
C C5 1 -0.15126656 0.41900716 0.61426587 1
| -154.158894 |
9,730 | C-148219-4273-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.52260000
_cell_length_b 4.45087000
_cell_length_c 4.30776000
_cell_angle_alpha 103.08146000
_cell_angle_beta 94.67188000
_cell_angle_gamma 97.42210000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 46.40888009
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.52976114 0.09302717 0.62927057 1
C C1 1 0.57854078 0.75218858 0.59803585 1
C C2 1 0.16904873 0.78404428 0.11591823 1
C C3 1 0.34335500 0.12436494 0.29585788 1
C C4 1 0.63044824 0.66340680 0.91593641 1
C C5 1 -0.13253509 0.29177411 0.21925009 1
C C6 1 0.04018724 0.63205122 0.39759562 1
C C7 1 0.68067296 0.32266850 0.88591255 1
| -154.093611 |
4,218 | C-141049-5998-25 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47179000
_cell_length_b 3.22909000
_cell_length_c 5.74736000
_cell_angle_alpha 80.36382000
_cell_angle_beta 64.51523000
_cell_angle_gamma 67.49898000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 38.25720485
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.44703540 0.20885245 0.33678386 1
C C1 1 0.84708641 0.84803927 0.11759803 1
C C2 1 0.49972403 0.84798251 -0.03507519 1
C C3 1 0.40945495 0.84618878 0.55573785 1
C C4 1 -0.19186721 0.48592631 0.33705683 1
C C5 1 0.75695643 0.84585738 0.70869642 1
| -154.256979 |
783 | C-141041-1809-30 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46000000
_cell_length_b 6.72024000
_cell_length_c 6.20405000
_cell_angle_alpha 63.68243000
_cell_angle_beta 63.80504000
_cell_angle_gamma 90.12584000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 79.95537643
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.17491056 0.53664876 0.37281055 1
C C1 1 0.62218207 0.36747107 0.81417400 1
C C2 1 1.03357997 -0.07632162 0.84894953 1
C C3 1 0.51550789 0.26215182 0.31957732 1
C C4 1 0.28100612 0.16272531 0.61447653 1
C C5 1 0.99916484 0.75914928 0.32590669 1
C C6 1 0.10794574 0.72622460 0.76447964 1
C C7 1 0.32555465 0.13027974 0.05790120 1
C C8 1 0.32190901 0.36464274 0.65239342 1
C C9 1 0.39734837 0.82946753 0.43895857 1
C C10 1 0.35662522 0.92385586 1.01366758 1
C C11 1 0.48389342 0.56796491 0.88770471 1
C C12 1 0.62370303 0.08935505 0.23331138 1
C C13 1 0.11767883 0.42926896 0.20599617 1
| -154.096306 |
1,917 | C-34663-3579-58 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.33329000
_cell_length_b 3.32968000
_cell_length_c 6.52252000
_cell_angle_alpha 97.23545000
_cell_angle_beta 82.43681000
_cell_angle_gamma 89.14112000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 71.15415290
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.56309164 0.34948566 0.53486301 1
C C1 1 0.55237110 0.03171112 0.19367663 1
C C2 1 0.21623242 0.69805990 0.51939025 1
C C3 1 -0.01208120 0.89086282 0.73312642 1
C C4 1 0.84954380 0.31754001 0.19257218 1
C C5 1 0.32677082 0.05129700 0.40840659 1
C C6 1 0.08438849 0.45884226 1.00327862 1
C C7 1 0.28505213 0.09132359 0.86650362 1
C C8 1 0.78740492 0.59230946 0.86766612 1
C C9 1 0.96712412 0.37701522 0.40739212 1
C C10 1 0.41688707 0.79399051 0.00346058 1
C C11 1 0.65051370 0.22779614 0.73811366 1
| -154.18933 |
594 | C-50208-1750-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43279000
_cell_length_b 6.41275000
_cell_length_c 8.58251000
_cell_angle_alpha 77.45633000
_cell_angle_beta 73.53438000
_cell_angle_gamma 79.23244000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 124.21143887
_cell_formula_units_Z 18
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.06282509 0.33106965 0.51449513 1
C C1 1 0.88512399 0.35805218 0.68181874 1
C C2 1 0.40470347 0.79158841 0.45613648 1
C C3 1 0.99663632 0.76169717 0.37958697 1
C C4 1 0.64511428 0.33732465 0.43010042 1
C C5 1 -0.18893644 0.38127263 0.24689054 1
C C6 1 0.54372645 1.07231775 0.17171047 1
C C7 1 0.51962355 0.47822314 -0.00664470 1
C C8 1 0.45130281 0.90019021 0.85955816 1
C C9 1 0.70345265 0.85512176 0.12605595 1
C C10 1 0.32745716 0.50221103 0.17175789 1
C C11 1 -0.02937651 0.16672267 0.19685717 1
C C12 1 0.18714379 0.73501331 0.20215355 1
C C13 1 0.29339865 0.38726468 0.75947369 1
C C14 1 0.21786898 0.85309026 0.61315573 1
C C15 1 0.86992740 0.89303767 0.94375787 1
C C16 1 0.11089604 0.44909050 0.91654409 1
C C17 1 0.62663421 0.87986683 0.69124974 1
| -154.314703 |
3,643 | C-126163-8054-36 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.78028000
_cell_length_b 3.63969000
_cell_length_c 4.81948000
_cell_angle_alpha 112.38484000
_cell_angle_beta 100.14336000
_cell_angle_gamma 92.68226000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 44.04151391
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.80328894 0.59159505 0.32603660 1
C C1 1 0.80371873 -0.00294963 0.51779279 1
C C2 1 -0.20184572 -0.06332776 0.01768236 1
C C3 1 0.79814770 0.14980539 0.82612166 1
C C4 1 0.80288178 0.20967168 0.32586259 1
C C5 1 0.79835706 0.55511128 0.01792120 1
| -154.140973 |
8,223 | C-13891-6939-3 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63497000
_cell_length_b 2.89525000
_cell_length_c 4.82082000
_cell_angle_alpha 93.69516000
_cell_angle_beta 112.13025000
_cell_angle_gamma 107.45230000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.92092959
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.32713443 0.91756664 0.21459247 1
C C1 1 0.60386796 0.92660002 0.52410000 1
C C2 1 -0.01615411 -0.07418572 0.52333400 1
C C3 1 0.94766674 0.91934425 0.21574397 1
C C4 1 0.39031388 0.92389626 0.71525708 1
C C5 1 0.54106021 -0.07952254 0.02363538 1
| -154.127734 |
9,988 | C-53812-2634-20 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.54780000
_cell_length_b 2.43903000
_cell_length_c 7.23400000
_cell_angle_alpha 88.57975000
_cell_angle_beta 118.50687000
_cell_angle_gamma 92.39941000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 39.46787776
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48192173 0.88302020 1.02152029 1
C C1 1 0.62488462 0.38456332 0.46276751 1
C C2 1 0.97729527 0.38406702 0.68404453 1
C C3 1 0.45353897 0.88586320 0.35512463 1
C C4 1 0.14936108 0.88280889 0.79180476 1
C C5 1 0.12227643 0.88486166 0.12538347 1
| -154.068184 |
8,542 | C-40126-7915-26 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42648000
_cell_length_b 6.35610000
_cell_length_c 4.22768000
_cell_angle_alpha 129.92198000
_cell_angle_beta 89.97851000
_cell_angle_gamma 112.48937000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 43.35079413
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.46160626 0.64744352 0.44608718 1
C C1 1 0.52878213 0.21421918 0.57884121 1
C C2 1 -0.12237000 0.56326195 0.86764563 1
C C3 1 0.52298949 0.70829697 0.15767151 1
C C4 1 0.87215171 0.05737507 0.44580123 1
C C5 1 0.93851512 0.62385972 0.57934055 1
| -154.315626 |
7,024 | C-106867-6371-23 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.48542000
_cell_length_b 4.67881000
_cell_length_c 4.08810000
_cell_angle_alpha 83.31944000
_cell_angle_beta 90.00612000
_cell_angle_gamma 105.42288000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 45.49302244
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.03585392 0.87023915 0.81320178 1
C C1 1 0.42133113 0.64110253 0.34432077 1
C C2 1 0.53473424 0.86783765 0.58634509 1
C C3 1 0.92028868 0.63934933 0.11935930 1
C C4 1 0.20681630 0.21228148 0.88012176 1
C C5 1 0.26489988 0.32639289 0.52469774 1
C C6 1 0.69279446 0.18246235 0.40632274 1
C C7 1 0.74969109 0.29852682 0.05036622 1
| -154.369855 |
4,774 | C-41318-6901-12 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39943000
_cell_length_b 4.70820000
_cell_length_c 5.14230000
_cell_angle_alpha 95.99848000
_cell_angle_beta 115.39886000
_cell_angle_gamma 95.53259000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.02188221
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 -0.11088855 0.43230727 0.21837075 1
C C1 1 1.26850839 0.55726437 0.47437283 1
C C2 1 0.75578697 0.03717282 0.46981197 1
C C3 1 0.60488143 0.79733426 0.56703504 1
C C4 1 1.24471975 0.03840692 -0.03819903 1
C C5 1 0.13684918 0.17438227 0.71645517 1
C C6 1 0.90737538 0.79944656 0.87017757 1
C C7 1 0.62488385 0.16239890 0.21803416 1
C C8 1 0.75700834 0.55843021 0.96684758 1
C C9 1 0.37514777 0.42262912 0.72021406 1
| -154.199095 |
9,499 | C-157703-910-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.47482000
_cell_length_b 3.72204000
_cell_length_c 4.24900000
_cell_angle_alpha 64.02437000
_cell_angle_beta 90.00489000
_cell_angle_gamma 90.00332000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.18532894
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.95494810 0.87420835 0.98188151 1
C C1 1 0.45490247 0.07778984 0.75880734 1
C C2 1 -0.04474224 0.46638645 -0.01845841 1
C C3 1 0.95525730 0.03119893 0.25967765 1
C C4 1 0.45517166 0.48561555 0.75901598 1
C C5 1 0.45527852 0.92061757 0.48103644 1
| -154.293129 |
7,792 | C-177268-8621-31 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43241000
_cell_length_b 4.39258000
_cell_length_c 6.12238000
_cell_angle_alpha 68.58932000
_cell_angle_beta 103.57573000
_cell_angle_gamma 102.91385000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 58.50866504
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48524798 0.40760430 0.68685749 1
C C1 1 1.40186443 0.82327652 1.10369281 1
C C2 1 0.65181042 0.57429069 0.85289144 1
C C3 1 0.15182160 0.07418848 0.35297086 1
C C4 1 0.23535651 0.65655678 0.93764326 1
C C5 1 0.90187802 0.32334407 0.60368318 1
C C6 1 0.73538631 1.15653737 0.43769868 1
C C7 1 -0.01472677 0.90756919 0.18689748 1
| -154.463631 |
1,370 | C-172953-2094-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.12895000
_cell_length_b 2.43337000
_cell_length_c 10.31635000
_cell_angle_alpha 90.84229000
_cell_angle_beta 93.95471000
_cell_angle_gamma 110.32425000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 73.41922842
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.17056853 0.51355194 0.51965275 1
C C1 1 1.03845096 0.44665037 0.38645424 1
C C2 1 0.36831188 0.11138997 0.71977485 1
C C3 1 0.83554510 0.84411129 0.18659575 1
C C4 1 0.56543941 0.70888327 0.91997037 1
C C5 1 0.96893628 0.91224929 0.31974816 1
C C6 1 0.23750146 0.04599406 0.58646263 1
C C7 1 0.63295557 0.24183523 -0.01324939 1
C C8 1 0.76556824 0.30923992 0.11991955 1
C C9 1 -0.56573582 0.64318485 0.78667710 1
| -154.445691 |
1,981 | C-47656-5931-17 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.43728000
_cell_length_b 4.19894000
_cell_length_c 8.98417000
_cell_angle_alpha 69.32023000
_cell_angle_beta 89.98929000
_cell_angle_gamma 89.99277000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 86.01986686
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.34665118 -0.05686837 0.42165631 1
C C1 1 0.84659001 0.03678634 0.49590957 1
C C2 1 -0.15290392 0.39662533 0.48382592 1
C C3 1 0.84605768 0.41965943 -0.01287687 1
C C4 1 0.84609732 1.30083483 0.16368108 1
C C5 1 0.84656642 0.83169947 0.66831025 1
C C6 1 0.34573921 0.79395757 0.18360387 1
C C7 1 0.84582203 0.64519923 0.17297861 1
C C8 1 0.34611702 0.09467003 0.23374304 1
C C9 1 0.34648919 0.72759658 0.74590270 1
C C10 1 0.34603486 0.51026343 0.90713875 1
C C11 1 0.34705559 0.56383713 0.46979166 1
| -154.234402 |
5,538 | C-13661-7792-16 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.46332000
_cell_length_b 6.75257000
_cell_length_c 5.49296000
_cell_angle_alpha 97.58614000
_cell_angle_beta 90.48335000
_cell_angle_gamma 87.89583000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C16
_cell_volume 90.50710803
_cell_formula_units_Z 16
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.73223822 0.30571857 0.50646833 1
C C1 1 0.30240665 0.95513058 0.94996517 1
C C2 1 0.50850195 0.32112376 0.99388934 1
C C3 1 0.80354763 0.92883845 0.50677830 1
C C4 1 0.34433836 0.69016261 0.25039720 1
C C5 1 0.23119002 0.07095689 0.19861393 1
C C6 1 1.21776773 0.42561548 0.59052046 1
C C7 1 0.35248971 0.13229056 0.80952870 1
C C8 1 0.86744116 0.65133368 0.08739270 1
C C9 1 0.29778073 0.90976750 0.35581031 1
C C10 1 0.29235689 0.63098034 0.53183630 1
C C11 1 -0.00460000 0.44068894 0.94410181 1
C C12 1 0.79423477 0.74403077 0.63736734 1
C C13 1 0.81516382 0.82002238 -0.09115280 1
C C14 1 0.68893093 0.20884457 0.23175490 1
C C15 1 0.82645894 0.12576783 0.65368811 1
| -154.131787 |
6,928 | C-80205-231-48 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44778000
_cell_length_b 5.98190000
_cell_length_c 4.81435000
_cell_angle_alpha 83.27496000
_cell_angle_beta 104.69799000
_cell_angle_gamma 89.99264000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C12
_cell_volume 67.68490015
_cell_formula_units_Z 12
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.57883072 0.71644274 0.31273340 1
C C1 1 0.73343877 0.59879047 0.62240262 1
C C2 1 -0.00446075 0.38964998 0.14577277 1
C C3 1 0.41407540 0.32559542 -0.01762887 1
C C4 1 0.25863802 0.44528217 0.67055753 1
C C5 1 0.15152006 0.27157184 0.45806037 1
C C6 1 0.41196128 0.07456092 -0.02093783 1
C C7 1 0.84880557 0.75200342 0.84759768 1
C C8 1 0.56139056 0.96396813 0.28059024 1
C C9 1 -0.16936569 0.99956938 0.81514657 1
C C10 1 -0.00260149 0.64195724 1.14862342 1
C C11 1 0.67661337 0.11736438 0.50607157 1
| -154.315718 |
6,512 | C-136371-1457-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45617000
_cell_length_b 4.65957000
_cell_length_c 9.72988000
_cell_angle_alpha 86.48519000
_cell_angle_beta 75.36886000
_cell_angle_gamma 71.83263000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C18
_cell_volume 102.35495295
_cell_formula_units_Z 18
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.69185414 -0.10756093 0.73237410 1
C C1 1 0.66451000 0.15549155 0.42556338 1
C C2 1 0.48766253 0.96572928 0.89446020 1
C C3 1 0.48970557 0.33294876 0.05526175 1
C C4 1 -0.26047970 0.25515647 0.27850066 1
C C5 1 0.50325370 0.59578950 0.30240310 1
C C6 1 1.22581418 -0.00398499 0.65364300 1
C C7 1 0.50910969 0.39216721 0.53327573 1
C C8 1 0.63279500 0.87635914 0.49497421 1
C C9 1 -0.20557221 0.54132176 0.75694612 1
C C10 1 0.21786416 0.51372564 0.84904697 1
C C11 1 1.05864061 0.79607335 0.94021474 1
C C12 1 0.32571810 0.68363726 0.45417081 1
C C13 1 0.39216730 0.14545058 0.19345141 1
C C14 1 0.53246164 0.78810549 0.17400594 1
C C15 1 0.15651133 0.68366481 0.08821695 1
C C16 1 0.98223362 0.33995667 0.62800927 1
C C17 1 0.16804044 0.27524434 0.95906506 1
| -154.102666 |
5,586 | C-72738-5062-10 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.51239000
_cell_length_b 4.18970000
_cell_length_c 4.11375000
_cell_angle_alpha 119.37876000
_cell_angle_beta 90.08228000
_cell_angle_gamma 107.57141000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 35.38498734
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.48394038 0.42159154 0.20082891 1
C C1 1 0.67665130 0.80940943 0.24435139 1
C C2 1 0.29032034 0.03349585 0.85672569 1
C C3 1 0.48329843 0.42139836 0.53101150 1
C C4 1 0.29018738 1.03321608 0.48720919 1
C C5 1 0.67668677 0.80948835 0.87551242 1
| -154.232133 |
2,207 | C-34609-1384-11 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.42996000
_cell_length_b 4.02009000
_cell_length_c 6.17017000
_cell_angle_alpha 70.52522000
_cell_angle_beta 89.53484000
_cell_angle_gamma 90.67859000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 56.81724720
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.64893643 0.31847588 0.84378056 1
C C1 1 0.14914090 0.07026474 0.59261760 1
C C2 1 0.64898796 0.48164352 0.01175883 1
C C3 1 0.64885460 0.81840064 0.34383608 1
C C4 1 1.14897803 0.23302776 0.76074094 1
C C5 1 0.64911229 -0.01819414 0.51167324 1
C C6 1 0.14907950 0.57003660 0.09276929 1
C C7 1 0.14889731 0.73282209 0.26086745 1
| -154.463393 |
8,141 | C-57158-3314-33 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.55681000
_cell_length_b 4.60040000
_cell_length_c 4.57645000
_cell_angle_alpha 76.07121000
_cell_angle_beta 89.99892000
_cell_angle_gamma 73.94407000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 50.08093863
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.08038719 0.45301622 0.54589902 1
C C1 1 0.50174741 0.61049749 0.37133941 1
C C2 1 0.25363696 1.10526303 0.57176188 1
C C3 1 0.32706782 0.95877852 0.34536831 1
C C4 1 0.07819580 0.45759696 0.90748480 1
C C5 1 0.50397814 0.60646198 1.00986627 1
C C6 1 0.24380547 0.12516773 0.05415944 1
C C7 1 0.33811731 0.93894586 -0.13693904 1
| -154.153588 |
2,531 | C-170350-1491-38 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.44649000
_cell_length_b 3.64737000
_cell_length_c 8.99550000
_cell_angle_alpha 115.23362000
_cell_angle_beta 89.97723000
_cell_angle_gamma 109.61904000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C10
_cell_volume 67.42776324
_cell_formula_units_Z 10
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.13645190 0.10591969 0.91355337 1
C C1 1 0.32059863 0.46965462 0.76214559 1
C C2 1 0.55285376 0.93876706 0.80263223 1
C C3 1 0.76276562 0.33931054 0.27591851 1
C C4 1 0.52809912 0.87283744 0.51831653 1
C C5 1 1.17796913 0.17023548 0.19782657 1
C C6 1 0.68236341 0.19080379 0.69595829 1
C C7 1 0.94307762 0.70199977 0.44049876 1
C C8 1 0.01508491 0.85466278 0.02001110 1
C C9 1 0.37441351 0.57532464 -0.04625114 1
| -154.2753 |
9,022 | C-57111-4456-45 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.29728000
_cell_length_b 2.50425000
_cell_length_c 6.55203000
_cell_angle_alpha 78.60009000
_cell_angle_beta 85.69961000
_cell_angle_gamma 67.78889000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C8
_cell_volume 49.09888725
_cell_formula_units_Z 8
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.77837071 0.14689014 0.91320820 1
C C1 1 0.41876133 0.98500922 0.60930247 1
C C2 1 0.13663283 0.87725838 1.08547284 1
C C3 1 0.77764881 0.71512102 0.78240769 1
C C4 1 1.13554263 0.62423938 0.60920815 1
C C5 1 0.77827534 -0.02163222 0.24342195 1
C C6 1 0.77761475 0.88363388 0.45139175 1
C C7 1 0.41962829 0.23820490 0.08553185 1
| -154.113943 |
5,838 | C-189730-9377-1 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.45261000
_cell_length_b 5.58737000
_cell_length_c 6.33570000
_cell_angle_alpha 78.00121000
_cell_angle_beta 90.00718000
_cell_angle_gamma 90.02206000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C14
_cell_volume 84.92525155
_cell_formula_units_Z 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.70649674 0.45034695 0.05186778 1
C C1 1 0.70635108 0.93085671 0.77772192 1
C C2 1 0.70630835 0.20790501 0.74326117 1
C C3 1 1.20629724 0.38144685 0.40097068 1
C C4 1 0.70655468 0.86394360 0.39775475 1
C C5 1 0.20670747 0.04614182 0.06863921 1
C C6 1 0.20643487 0.86037114 0.91866253 1
C C7 1 0.20665966 0.92929675 0.29808416 1
C C8 1 1.20629955 0.34133631 0.64227035 1
C C9 1 0.20605199 0.59217096 0.70324574 1
C C10 1 0.70620240 0.74608058 0.62757817 1
C C11 1 0.20651876 0.58253386 0.95148272 1
C C12 1 0.70637985 0.41241634 0.29310756 1
C C13 1 0.70682176 0.19930991 0.99171847 1
| -154.346933 |
1,589 | C-96672-9795-51 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.06643000
_cell_length_b 4.61763000
_cell_length_c 5.64776000
_cell_angle_alpha 47.11186000
_cell_angle_beta 46.92577000
_cell_angle_gamma 62.68909000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.79766307
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.91415054 0.51952916 -0.02214898 1
C C1 1 0.24356356 0.18463554 -0.02107162 1
C C2 1 0.57689689 0.51796887 0.31226172 1
C C3 1 0.58081721 0.18619583 0.64451768 1
C C4 1 -0.08976977 0.85130221 0.64559505 1
C C5 1 0.24748387 0.85286249 0.31118435 1
| -154.44417 |
8,290 | C-130507-2037-6 | # generated using pymatgen
data_C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07948000
_cell_length_b 2.42853000
_cell_length_c 6.78688000
_cell_angle_alpha 69.54136000
_cell_angle_beta 70.06117000
_cell_angle_gamma 68.16949000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C
_chemical_formula_sum C6
_cell_volume 42.82540238
_cell_formula_units_Z 6
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.31580173 -0.03875155 0.95666930 1
C C1 1 0.76254331 0.18132720 0.51261398 1
C C2 1 0.09600851 0.84793160 0.17928811 1
C C3 1 0.98248533 0.29457353 0.29000573 1
C C4 1 0.42922690 0.51465228 0.84595041 1
C C5 1 0.64902012 0.62796913 0.62333160 1
| -154.444438 |
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